Enhancement of anticancer activity and drug delivery of chitosan-curcumin nanoparticle via molecular docking and simulation analysis

Yadav, Priya; Bandyopadhyay, A. K.; Chakraborty, Anindita; Sarkar, Keka

doi:10.1016/j.carbpol.2017.10.102

Cited by 108 publications

(38 citation statements)

References 40 publications

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“…It can be seen that for all samples, the electrostatic forces were the dominant interactions. The result is consistent with [26], whose energy profile revealed insights by describing the van der Waals (VdW) and electrostatic forces for the interactions of Curcumin and chitosan, with the electrostatic energy being much more prevalent than the VdW.…”

Section: Energy Analysissupporting

confidence: 84%

“…Comparison of the graphs shows that at all concentrations, number of the formed hydrogen bonds was sufficient and the number of hydrogen bonds at all concentrations was favorable and thus, it contributed to the hydrophilicity of curcumin. The data are consistent with , which asserts the higher solubility of Curcumin in PEG, especially, a 2000-fold increases in solubility of Curcumin in PEG compared to water Yadav et al (2018). linked the stability of chitosan-Curcumin complexes to forming hydrogen bonding between the hydroxyl (-OH) group of the Curcumin molecule and hydroxyl (-OH) group of chitosan with a binding energy of -4.3 kcal/mol[26].…”

supporting

confidence: 85%

“…Since the hydrogen bond energy still originates from the dipole-dipole interaction of the donoracceptor groups, being added to the electrostatic potential, it can be inferred that the electrostatic interaction energy ascends as the number of hydrogen bonds increases [26]. Accordingly, for the chitosan/PEG carrier with 5-mer PEG, which possessed the highest average number of hydrogen bonds, the highest electrostatic interaction energy could be predicted.…”

Section: Energy Analysismentioning

confidence: 99%

See 2 more Smart Citations

Toward Understanding Curcumin Delivery by Trimethyl Chitosan -polyethylene Glycol: Optimization Ofpolymer Concentration and Chain Length by Molecular Dynamics

Sohrabi

Khedri

Maleki

et al. 2020

Preprint

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The second main cause of death in the world and one of the major public health problems is cancer. Curcumin is anatural bioactive substance with good anti-cancerous effect.However, due to thelow cellular uptake of curcumin anti-cancer drug, it is vital to exploit a noble formulation, which can contribute to a decrease in its hydrophobicity and enables theefficient therapeutic effect of curcumin. Biocompatibility and hydrophilicity of the polyethylene glycol cause itto be one of the most attractive drug carriers. Chitosan is also of great importance, consideringits biocompatibility,and is used along with thedrug-carrying polymers. In this study, for the first time, a combination oftrimethyl chitosan and polyethylene glycol was employedto deliver curcumin.Herein, hydrophilicity, stability, and energy analysis of the systems have been investigated, from which it was found thatthe 60/40 is the optimum ratio concentration ofchitosan to polyethylene glycol for Curcumin delivery. Another characteristic property of the hybrid drug delivery system was the PEG chain length, with its least magnitude being the optimal value. Results of the present molecular study give a practicalinsight into the curcumin drug delivery system and propose a novel hybrid carrier for efficient curcumin delivery, which can be further exploited to develop novel nanomedicine systems.

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Section: Energy Analysissupporting

confidence: 84%

supporting

confidence: 85%

Section: Energy Analysismentioning

confidence: 99%

See 1 more Smart Citation

Toward Understanding Curcumin Delivery by Trimethyl Chitosan -polyethylene Glycol: Optimization Ofpolymer Concentration and Chain Length by Molecular Dynamics

Sohrabi

Khedri

Maleki

et al. 2020

Preprint

View full text Add to dashboard Cite

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“…Similarly, 1 H NMR spectroscopy ( Figure 2B) further demonstrated the formation of new ester and amide bonds in CCA conjugate. The chitosan backbone peaks present at 3.0, 3.5-3.8, and 4.2 ppm are assigned to the carbon d, carbon a-c,f, and carbon e of chitosan, respectively [49]. The new peak indicates that the CLA and Arg groups are directly linked to the CMCS backbone.…”

Section: Characterization Of Cca Samplementioning

confidence: 95%

“…Also of note is that the particle size observed by the TEM image ( Figure 3) was in the range of 160-200 nm, which seems to be smaller than the result obtained by DLS ( Table 1). The difference in size could be reasonably ascribed to the hydrodynamic radius in DLS [49]. In addition, Morphological examination of CCA5-NP and PR:CCA5-NPs were performed by TEM.…”

Section: Formation and Characteristics Of Self-aggregated Nanoparticlesmentioning

confidence: 98%

Fabrication of Carboxylmethyl Chitosan Nanocarrier via Self-Assembly for Efficient Delivery of Phenylethyl Resorcinol in B16 Cells

2020

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Micro-molecular drugs have special advantages to cope with challenging diseases, however their structure, physical and chemical properties, stability, and pharmacodynamics have more requirements for the way they are delivered into the body. Carrier-based drug delivery systems can circumvent many limited factors of drug delivery and increase their bioavailability. In this context, stable drug nanocarriers of alkaline amino acids (arginine, Arg) modified conjugated linoleic acid-carboxymethyl chitosan (CLA-CMCS) conjugate were developed, which could generate supramolecular micelles to effectively encapsulate the tyrosinase inhibitor phenylethyl resorcinol (PR). The resulting CCA-NPs were spherical nanoparticles with a mean size around 175 nm. The 3-(4,5-dimethyl-2-thiazolyl)-2,5-diphenyl-2-H-tetrazolium bromide (MTT) assay and cellular uptake investigation demonstrated that the CCA-NPs were non-cytotoxic and had excellent cell transport ability. In addition, these CCA-NPs were able to effectively deliver PR and inhibited melanin formation to reduce pigmentation by enhancing cellular uptake. In conclusion, our research indicated that nanocarriers based on self-assembly amphiphilic polymers constituted a promising and effective drug delivery system in hyperpigmentation targeting.

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Antibacterial and in vitro anticancer activities of the antimicrobial peptide NRC‐07 encapsulated in chitosan nanoparticles

Turky,

Abdelmonem,

Tammam

et al. 2023

Journal of Peptide Science

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Antimicrobial peptides (AMPs) are promising alternatives to conventional antibiotics and chemotherapy in the treatment of multidrug‐resistant pathogens and drug‐resistant cancers. Clinical application of AMPs is limited due to low stability and inefficient transport. Encapsulation in nanocarriers may improve their therapeutic potential. Chitosan nanoparticles (CS‐NPs) are efficient carriers for proteins and peptides, improving the treatment of microbial infections and targeted drug delivery. We examined toxicity against cancer cell lines and antibacterial activities of the pleurocidin‐like AMP NRC‐07 upon encapsulation in CS‐NPs by ionotropic gelation. The biological activities of various formulations of free and encapsulated NRC‐07 and free nanoparticles were evaluated against Pseudomonas aeruginosa and breast cancer cells, using assays for cell viability and lactate dehydrogenase cytolysis with non‐cancer cell lines as controls. NRC‐07‐containing nanoparticles decreased the bacterial and cancer cell viability in a concentration‐dependent manner. Activities of encapsulated peptide were >2‐fold higher than those of free NRC‐07 peptide. Unloaded CS‐NPs and free peptide were not cytotoxic against control cells. Encapsulation of NRC‐07 into CS‐NPs enhanced the antibacterial and selective cytotoxicity of the peptide, possibly enhancing anticancer activities. Encapsulation presents a promising tool for the development of efficient drug delivery systems.

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Enhancement of anticancer activity and drug delivery of chitosan-curcumin nanoparticle via molecular docking and simulation analysis

Cited by 108 publications

References 40 publications

Toward Understanding Curcumin Delivery by Trimethyl Chitosan -polyethylene Glycol: Optimization Ofpolymer Concentration and Chain Length by Molecular Dynamics

Toward Understanding Curcumin Delivery by Trimethyl Chitosan -polyethylene Glycol: Optimization Ofpolymer Concentration and Chain Length by Molecular Dynamics

Fabrication of Carboxylmethyl Chitosan Nanocarrier via Self-Assembly for Efficient Delivery of Phenylethyl Resorcinol in B16 Cells

Antibacterial and in vitro anticancer activities of the antimicrobial peptide NRC‐07 encapsulated in chitosan nanoparticles

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